GC/MS指纹图谱及系统聚类分析用于烟用爆珠内含物的测定  

GC/MS fingerprinting with hierarchical cluster analysis to determine components in breakable capsules in cigarette filter

作　　者：何媛[1] 彭军仓[1] 吕娟[1] 杨芳[1] 樊亚玲[1] 曹永艳[1] 王瑶[1] 李小斌[1] 王永红[1] 邓宝安[1] 曹稳[1] 雷东锋[1] 黄仲波[1] HE Yuan;PENG Juncang;LU Juan;YANG Fang;FAN Yaling;CAO Yongyan;WANG Yao;LI Xiaobin;WANG Yonghong DENG Baoan;CAO Wen;LEI Dongfeng;HUANG Zhongbo(Technology Center,China Tobacco Shaanxi Industrial Co.,Ltd.,Baoji 721013,Shaanxi,China)

机构地区：[1]陕西中烟工业有限责任公司技术中心

出　　处：《烟草科技》2018年第7期54-60,共7页Tobacco Science & Technology

基　　金：陕西中烟工业有限责任公司科技项目"爆珠成分分析及质量稳定性研究"(ZB17005)

摘　　要：为分析烟用爆珠的内含物,采用正己烷振荡萃取-气相色谱-质谱(GC/MS)法分别对3种烟用爆珠8批次内含物样品及其稀释和掺兑样品中的主要挥发、半挥发性成分进行分离和鉴定,采用相对保留值和相对峰面积法对主要成分的保留时间和色谱峰进行处理,建立了烟用爆珠内含物GC/MS指纹图谱,并通过比较各批次烟用爆珠内含物及其稀释和掺兑样品的欧氏距离、夹角余弦、欧氏距离比值和相似度评价烟用爆珠内含物的质量稳定性。结果表明:(1)欧氏距离和欧氏距离比值能够在一定程度上反映烟用爆珠内含物的质量变化,可作为烟用爆珠内含物质量稳定性考察的重要指标。(2)利用系统聚类分析法可明显区分烟用爆珠内含物样品与其稀释和掺兑样品。(3)GC/MS指纹图谱结合系统聚类分析可用于烟用爆珠内含物质量稳定性的评价,且该方法操作简单、快速。To analyze the main chemical components in breakable capsules for cigarette filter,the main volatile and semi-volatile components in three types of breakable capsules from eight batches of filters were analyzed.The dilutions and mixtures of the capsule contents were separated and determined by GC/MS after being dissolved and extracted by hexane. The GC/MS fingerprint spectra were aligned by retention times and chromatographic peaks of the main volatile and semi-volatile components together with relative retention values and relative peak areas. The quality consistency of chemical components in these breakable capsules from different batches was evaluated by comparing the values of Euclidean distance,angle cosine,Euclidean distance ratio and similarity from their dilutions and mixtures. The results showed that：1） Euclidean distance and Euclidean distance ratio could characterize the quality variation in chemical components to a certain extent,and could be used as important indexes for investigating the quality consistency of components. 2）The components in breakable capsules could be successfully distinguished from their dilutions and mixtures by the hierarchical cluster analysis. 3） The GC/MS fingerprinting with hierarchical cluster analysis was simple,rapid and suitable for evaluating the quality consistency of chemical components in breakable capsules for cigarette filter.

关 键 词：GC/MS 烟用爆珠内含物 指纹图谱 欧氏距离 系统聚类分析 

分 类 号：TS264.3[轻工技术与工程—发酵工程]